2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

C11H18O — CID 15775107

IUPAC2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
SMILESCOCC1=CCC2CC1C2(C)C
InChIInChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3
InChIKeyGMYAZJHVKQKHSD-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.63
Rot. Bonds2

About 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene (PubChem CID 15775107) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
PubChem CID15775107
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
SMILESCOCC1=CCC2CC1C2(C)C
InChIInChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3
InChIKeyGMYAZJHVKQKHSD-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
The IUPAC name of 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene (CID 15775107) is 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
The canonical SMILES for 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene is COCC1=CCC2CC1C2(C)C.
What is the InChIKey of 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
The InChIKey is GMYAZJHVKQKHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene?
2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene has a molecular weight of 166.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 15775107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).